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Add pruning back to search
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David Williams-Young committed Dec 4, 2023
1 parent 6fadd7a commit cecc6eb
Showing 1 changed file with 7 additions and 1 deletion.
8 changes: 7 additions & 1 deletion include/macis/asci/determinant_search.hpp
Original file line number Diff line number Diff line change
Expand Up @@ -371,7 +371,13 @@ asci_contrib_container<wfn_t<N>> asci_contributions_constraint(

// Prune Down Contributions
if(asci_pairs.size() > asci_settings.pair_size_max) {
throw std::runtime_error("DIE DIE DIE");
logger->info(" * PRUNING AT CON = {} IALPHA = {}",
ic, i_alpha);
auto uit = sort_and_accumulate_asci_pairs(
asci_pairs.begin() + size_before, asci_pairs.end());
asci_pairs.erase(uit, asci_pairs.end());
if(asci_pairs.size() > asci_settings.pair_size_max)
throw std::runtime_error("DIE DIE DIE");
}

} // Unique Alpha Loop
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